U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdNb4O12 by Materials Project
Abstract
NdNb4O12 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Nd–O bond distances ranging from 2.49–3.10 Å. Nb is bonded to six O atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 7–29°. There are a spread of Nb–O bond distances ranging from 1.94–2.09 Å. There are five inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Nb atoms. In the second O site, O is bonded in a distorted T-shaped geometry to one Nd and two equivalent Nb atoms. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent Nd and two equivalent Nb atoms. In the fourth O site, O is bonded in a distorted T-shaped geometry to one Nd and two equivalent Nb atoms. In the fifth O site, O is bonded in a linear geometry to one Nd and two equivalent Nb atoms.
- Publication Date:
- Other Number(s):
- mp-1220017
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Nb-Nd-O; NdNb4O12; crystal structure
- OSTI Identifier:
- 1748358
- DOI:
- https://doi.org/10.17188/1748358
Citation Formats
Materials Data on NdNb4O12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1748358.
Materials Data on NdNb4O12 by Materials Project. United States. doi:https://doi.org/10.17188/1748358
2020.
"Materials Data on NdNb4O12 by Materials Project". United States. doi:https://doi.org/10.17188/1748358. https://www.osti.gov/servlets/purl/1748358. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1748358,
title = {Materials Data on NdNb4O12 by Materials Project},
abstractNote = {NdNb4O12 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Nd–O bond distances ranging from 2.49–3.10 Å. Nb is bonded to six O atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 7–29°. There are a spread of Nb–O bond distances ranging from 1.94–2.09 Å. There are five inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Nb atoms. In the second O site, O is bonded in a distorted T-shaped geometry to one Nd and two equivalent Nb atoms. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent Nd and two equivalent Nb atoms. In the fourth O site, O is bonded in a distorted T-shaped geometry to one Nd and two equivalent Nb atoms. In the fifth O site, O is bonded in a linear geometry to one Nd and two equivalent Nb atoms.},
doi = {10.17188/1748358},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}